Geometry & MOs

Info

ID:	8209
PubChem CID:	75365
Reduced:	O2Cl3C4H5 (1)
Stoich.:	A2B3C4D5 (1)
Weight, g/mol:	189.935512
ΔH_f, kcal/mol:	-121.96
Dipole, Da:	2.87
IP(EA), eV:	-11.47(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trichlorobutanoic acid

Drug info:

PubChemData

Smile

C(CC(Cl)(Cl)Cl)C(=O)O

DOS

IR

Vibrations